Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMSP56N)

Drug Name

trihydroxycholestane Drug Info

Synonyms

5beta-Cholestane-3alpha,7alpha,12alpha-triol; Trihydroxycoprostane; 3,7,12-Trihydroxycholestane; 547-96-6; 5-b-Cholestane-3a ,7a ,12a-triol; (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol; 3alpha,7alpha,12alpha-Trihydroxycoprostane; 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane; 3,7,12-Trihydroxycoprostane; A,5; A)-cholestane-3,7,12-triol; AC1L4NRJ; 3,7,12-trihydroxycholestane; trihydroxycoprostane; 5beta-cholestane-3alpha,7alpha,12alpha-triol

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Cross-matching ID

PubChem CID: 160520
ChEBI ID: CHEBI:16496
CAS Number: CAS 547-96-6
TTD Drug ID: DMSP56N

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Investigative Drug(s)

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Drug(s) Targeting Pregnane X receptor (NR1I2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
WAY-214950	DM8ODI7	Discovery agent	N.A.	Investigative	[3]
Hyperforin	DM2L3PE	Discovery agent	N.A.	Investigative	[4]
3-keto-lithocholic acid	DM5LUED	Discovery agent	N.A.	Investigative	[5]
pregnenolone-16alpha-carbonitrile	DM0LW7G	Discovery agent	N.A.	Investigative	[6]
schisandrin A	DMWQ480	Discovery agent	N.A.	Investigative	[7]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Pregnane X receptor (NR1I2)	TT7LCTF	NR1I2_HUMAN	Agonist	[2]

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References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2803).
2	Identification of bile acid precursors as endogenous ligands for the nuclear xenobiotic pregnane X receptor. Proc Natl Acad Sci U S A. 2003 Jan 7;100(1):223-8.
3	Indazole-based liver X receptor (LXR) modulators with maintained atherosclerotic lesion reduction activity but diminished stimulation of hepatic tr... J Med Chem. 2008 Nov 27;51(22):7161-8.
4	Pregnane X receptor (PXR) regulates P-glycoprotein at the blood-brain barrier: functional similarities between pig and human PXR. J Pharmacol Exp Ther. 2009 Apr;329(1):141-9.
5	The nuclear receptor PXR is a lithocholic acid sensor that protects against liver toxicity. Proc Natl Acad Sci U S A. 2001 Mar 13;98(6):3369-74.
6	An orphan nuclear receptor activated by pregnanes defines a novel steroid signaling pathway. Cell. 1998 Jan 9;92(1):73-82.
7	Traditional Chinese medicines Wu Wei Zi (Schisandra chinensis Baill) and Gan Cao (Glycyrrhiza uralensis Fisch) activate pregnane X receptor and inc... J Pharmacol Exp Ther. 2006 Mar;316(3):1369-77.